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Docking results

Sortable table and score distributions for docking results. The default view collapses poses to one best pose per ligand so decisions start from compounds, not pose duplicates.

DB SELECTION
Ligand priority Viewer Experiments Reverse docking
534 ligands default: one best pose per compound ★ Native available
L. donovani rab5a · T22
L. donovani
Protein: Rab5a GTPase
# Compound Alt poses Score ▲ Final rank Inter norm H-bonds Contacts Jaccard Contact recall HB recall HB role recall Assessment ↕ GDS
1 MK174
T22
 0 -31.210 4.9962 -1.0466 8 20 0.58 0.71 0.33 0.36 Weak SAFE
GDS₃ 0.351
P=71%
2 Z1501485351
T22
 0 -33.845 1.7331 -1.4312 11 21 0.83 0.90 0.47 0.45 Weak —
3 Z49558975
T22
 0 -30.618 3.9477 -1.3511 11 20 0.86 0.90 0.33 0.36 Weak —
4 NMT-TY0432
T22
 0 -34.867 4.7519 -1.2603 11 21 0.91 0.95 0.47 0.45 Reject —
5 Z57100312
T22
 0 -29.189 2.7109 -1.3401 8 18 0.62 0.71 0.40 0.45 Weak —

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